SCHEMBL8901334

SCHEMBL8901334

COC(=O)c1cc(C(N)=O)ccc1Oc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
SLC6A4 P31645 5/20 0.47
KCNH2 Q12809 2/20 0.47
HTR2A P28223 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
SLC6A2 P23975 4/20 0.46
SLC6A3 Q01959 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
ABL1 P00519 1/20 0.46
PARP10 Q53GL7 2/20 0.45
USP2 O75604 1/20 0.44
CHEK2 O96017 2/20 0.44
BRD4 O60885 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PARP15 Q460N3 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8902333 0.85 PARP10 (0.50) MAPTSLC6A4KCNH2HTR2AKMT2A
SCHEMBL9097722 0.83 PNLIP (0.52) MAPTKMT2AMEN1POLBTDP1
SCHEMBL20944605 0.79 MAPK1 (0.55) MAPTKMT2AMEN1PARP10ALDH1A1
SCHEMBL11696831 0.79 KMT2A (0.63) MAPTSLC6A4KCNH2HTR2AKMT2A
SCHEMBL5364405 0.78 CYP1A2 (0.51) MAPTKMT2AMEN1POLBPARP10
SCHEMBL4449413 0.78 PTGER4 (0.57) SLC6A4KCNH2HTR2ASLC6A3TDP1
SCHEMBL16319473 0.77 PARP10 (0.49) MAPTSLC6A4KCNH2HTR2AKMT2A
SCHEMBL9096671 0.76 TDP1 (0.59) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL6760076 0.76 USP2 (0.54) MAPTKMT2ATDP1PARP10USP2
SCHEMBL26936666 0.76 KMT2A (0.61) MAPTKMT2AMEN1POLBUSP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663391-B1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls HOFFMANN LA ROCHE (CH) 1997-04-09 EP disclosed
EP-0663391-A1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1995-07-19 EP disclosed